2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one

C12H20N6O2 — CID 167063297

IUPAC2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESCCC1CN(C)CC(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C12H20N6O2/c1-3-7-4-17(2)5-8(20-7)18-6-14-9-10(18)15-12(13)16-11(9)19/h7-8,14H,3-6H2,1-2H3,(H3,13,15,16,19)
InChIKeyODUQRRYDPAFMRB-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.39
Rot. Bonds2

About 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one

2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one (PubChem CID 167063297) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one
PubChem CID167063297
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESCCC1CN(C)CC(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C12H20N6O2/c1-3-7-4-17(2)5-8(20-7)18-6-14-9-10(18)15-12(13)16-11(9)19/h7-8,14H,3-6H2,1-2H3,(H3,13,15,16,19)
InChIKeyODUQRRYDPAFMRB-UHFFFAOYSA-N
XLogP-0.39
TPSA99.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one (CID 167063297) is 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one is CCC1CN(C)CC(N2CNc3c2nc(N)[nH]c3=O)O1.
What is the InChIKey of 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one?
The InChIKey is ODUQRRYDPAFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-3-7-4-17(2)5-8(20-7)18-6-14-9-10(18)15-12(13)16-11(9)19/h7-8,14H,3-6H2,1-2H3,(H3,13,15,16,19).
What are the key properties of 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one?
2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one has a molecular weight of 280.33 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(6-ethyl-4-methylmorpholin-2-yl)-7,8-dihydro-1H-purin-6-one is sourced from PubChem (CID 167063297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).